[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate

C11H8ClNO3 — CID 174278900

IUPAC[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
SMILESCc1onc(-c2ccccc2Cl)c1OC=O
InChIInChI=1S/C11H8ClNO3/c1-7-11(15-6-14)10(13-16-7)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyXNESGQKRLAJJFX-UHFFFAOYSA-N
MW237.64 g/mol
LogP2.84
Rot. Bonds3

About [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate

[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate (PubChem CID 174278900) has the molecular formula C11H8ClNO3 and a molecular weight of 237.64 g/mol. Its IUPAC name is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate.

Molecular Properties

Compound Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
PubChem CID174278900
Molecular FormulaC11H8ClNO3
Molecular Weight237.64 g/mol
Exact Mass237.02
IUPAC Name[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
SMILESCc1onc(-c2ccccc2Cl)c1OC=O
InChIInChI=1S/C11H8ClNO3/c1-7-11(15-6-14)10(13-16-7)8-4-2-3-5-9(8)12/h2-6H,1H3
InChIKeyXNESGQKRLAJJFX-UHFFFAOYSA-N
XLogP2.84
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
CID 53432907
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]but-3-en-1-one
CID 11032674
N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
CID 53421717
methoxymethyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 9114662
[5-(2-chlorophenyl)-1,2-oxazol-4-yl] formate
CID 174407084
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
3-(2-chlorophenyl)-N-(2,2-dimethoxyethyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 949324
phenacyl 3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
CID 1016479
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
1,3-diamino-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 138739382

Frequently Asked Questions

What is the IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate?
The IUPAC name of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate (CID 174278900) is [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate.
What is the SMILES notation for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate?
The canonical SMILES for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate is Cc1onc(-c2ccccc2Cl)c1OC=O.
What is the InChIKey of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate?
The InChIKey is XNESGQKRLAJJFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO3/c1-7-11(15-6-14)10(13-16-7)8-4-2-3-5-9(8)12/h2-6H,1H3.
What are the key properties of [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate?
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate has a molecular weight of 237.64 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate is sourced from PubChem (CID 174278900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).